2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-1-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)ethanone

Systemtic Name: 2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-1-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)ethanone Openeye Name: 2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-1-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)ethanone CAS Name: 2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-1-piperazinyl]-1-(1-ethyl-2,5-dimethyl-3-pyrrolyl)ethanone IUPAC Name: 2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-1-(1-ethyl-2,5-dimethylpyrrol-3-yl)ethanone Traditional Name: 2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazino]-1-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)ethanone Formula: C23H31N3O5S MolecularWeight: 461.57434

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC(=C1C)C(=O)CN2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCCO4)C

Isomeric SMILES

CCN1C(=CC(=C1C)C(=O)CN2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCCO4)C

InChI

InChI=1S/C23H31N3O5S/c1-4-26-17(2)14-20(18(26)3)21(27)16-24-8-10-25(11-9-24)32(28,29)19-6-7-22-23(15-19)31-13-5-12-30-22/h6-7,14-15H,4-5,8-13,16H2,1-3H3